2-chloro-3-(propan-2-yloxymethyl)thiophene

C8H11ClOS — CID 171518030

IUPAC2-chloro-3-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccsc1Cl
InChIInChI=1S/C8H11ClOS/c1-6(2)10-5-7-3-4-11-8(7)9/h3-4,6H,5H2,1-2H3
InChIKeyHATJTCYFFHTVFQ-UHFFFAOYSA-N
MW190.69 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-3-(propan-2-yloxymethyl)thiophene

2-chloro-3-(propan-2-yloxymethyl)thiophene (PubChem CID 171518030) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is 2-chloro-3-(propan-2-yloxymethyl)thiophene.

Molecular Properties

Compound Name2-chloro-3-(propan-2-yloxymethyl)thiophene
PubChem CID171518030
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name2-chloro-3-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccsc1Cl
InChIInChI=1S/C8H11ClOS/c1-6(2)10-5-7-3-4-11-8(7)9/h3-4,6H,5H2,1-2H3
InChIKeyHATJTCYFFHTVFQ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(propan-2-yloxymethyl)thiophene?
The IUPAC name of 2-chloro-3-(propan-2-yloxymethyl)thiophene (CID 171518030) is 2-chloro-3-(propan-2-yloxymethyl)thiophene.
What is the SMILES notation for 2-chloro-3-(propan-2-yloxymethyl)thiophene?
The canonical SMILES for 2-chloro-3-(propan-2-yloxymethyl)thiophene is CC(C)OCc1ccsc1Cl.
What is the InChIKey of 2-chloro-3-(propan-2-yloxymethyl)thiophene?
The InChIKey is HATJTCYFFHTVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c1-6(2)10-5-7-3-4-11-8(7)9/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-3-(propan-2-yloxymethyl)thiophene?
2-chloro-3-(propan-2-yloxymethyl)thiophene has a molecular weight of 190.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(propan-2-yloxymethyl)thiophene is sourced from PubChem (CID 171518030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).